4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine

C18H25N3O4S — CID 126951892

IUPAC4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
SMILESCn1ccc2c(OC3CCN(S(=O)(=O)N4CCOCC4)CC3)cccc21
InChIInChI=1S/C18H25N3O4S/c1-19-8-7-16-17(19)3-2-4-18(16)25-15-5-9-20(10-6-15)26(22,23)21-11-13-24-14-12-21/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyBCUMZWGQYPJTLX-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.60
Rot. Bonds4

About 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine

4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine (PubChem CID 126951892) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
PubChem CID126951892
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
SMILESCn1ccc2c(OC3CCN(S(=O)(=O)N4CCOCC4)CC3)cccc21
InChIInChI=1S/C18H25N3O4S/c1-19-8-7-16-17(19)3-2-4-18(16)25-15-5-9-20(10-6-15)26(22,23)21-11-13-24-14-12-21/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyBCUMZWGQYPJTLX-UHFFFAOYSA-N
XLogP1.60
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 126951816
1-methyl-4-(1-methylpiperidin-4-yl)oxyindole
CID 126952178
4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole
CID 126951893
3,5-dimethyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
CID 126951887
5-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 126951964
1-methyl-4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]oxyindole
CID 126951890
1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952123
3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]oxolan-3-ol
CID 126952174
2-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126951986
3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126951991
3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole
CID 126951949
2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone
CID 126951864

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine (CID 126951892) is 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine is Cn1ccc2c(OC3CCN(S(=O)(=O)N4CCOCC4)CC3)cccc21.
What is the InChIKey of 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine?
The InChIKey is BCUMZWGQYPJTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-19-8-7-16-17(19)3-2-4-18(16)25-15-5-9-20(10-6-15)26(22,23)21-11-13-24-14-12-21/h2-4,7-8,15H,5-6,9-14H2,1H3.
What are the key properties of 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine?
4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine has a molecular weight of 379.48 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 126951892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).